Dorfmanite Catti M, Ferraris G, Franchini-Angela M Acta Crystallographica B33 (1977) 3449-3452 The crystal structure of Na2HPO4*2H2O. Competition between coordination and hydrogen bonds Locality: synthetic Note: displacement parameters from ICSD, Biso(H1) invented _database_code_amcsd 0009612 CELL PARAMETERS: 16.8720 10.3590 6.5990 90.000 90.000 90.000 SPACE GROUP: Pbca X-RAY WAVELENGTH: 1.541838 Cell Volume: 1153.354 Density (g/cm3): 2.050 MAX. ABS. INTENSITY / VOLUME**2: 3.413970761 RIR: 0.542 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.49 83.71 8.4360 2 0 0 2 16.77 91.67 5.2855 1 1 1 8 17.12 10.87 5.1795 0 2 0 2 19.10 100.00 4.6457 2 1 1 8 20.12 10.66 4.4139 2 2 0 4 21.81 1.24 4.0744 0 2 1 4 22.47 26.50 3.9560 3 1 1 8 22.76 2.28 3.9066 4 1 0 4 24.26 17.04 3.6689 2 2 1 8 26.51 90.67 3.3617 4 1 1 8 27.02 4.97 3.2995 0 0 2 2 27.27 59.28 3.2707 4 2 0 4 27.55 22.43 3.2382 1 0 2 4 28.89 3.77 3.0907 1 1 2 8 29.68 19.60 3.0104 1 3 1 8 30.34 23.99 2.9459 2 1 2 8 30.50 44.38 2.9305 4 2 1 8 30.99 18.44 2.8855 5 1 1 8 31.10 57.16 2.8762 2 3 1 8 31.43 6.67 2.8459 3 0 2 4 32.17 13.36 2.7828 0 2 2 4 32.61 17.33 2.7457 1 2 2 8 32.63 35.62 2.7442 3 1 2 8 33.01 1.47 2.7138 6 1 0 4 33.34 9.18 2.6875 3 3 1 8 33.54 5.00 2.6719 4 3 0 4 33.92 5.03 2.6427 2 2 2 8 34.51 23.19 2.5988 5 2 1 8 34.64 7.18 2.5898 0 4 0 2 35.62 1.64 2.5207 4 1 2 8 36.01 30.69 2.4942 3 2 2 8 36.29 15.78 2.4757 2 4 0 4 36.35 18.17 2.4713 6 2 0 4 37.69 5.09 2.3865 1 4 1 8 38.15 3.51 2.3591 5 0 2 4 38.77 1.71 2.3228 4 2 2 8 38.85 1.24 2.3180 2 4 1 8 38.92 2.09 2.3143 6 2 1 8 39.16 1.76 2.3002 5 1 2 8 39.25 1.74 2.2955 2 3 2 8 39.77 33.15 2.2666 5 3 1 8 40.72 12.41 2.2158 3 4 1 8 40.89 11.57 2.2070 4 4 0 4 41.10 3.78 2.1961 3 3 2 8 42.23 4.68 2.1402 6 0 2 4 42.88 1.05 2.1090 8 0 0 2 43.23 7.44 2.0930 4 4 1 8 43.40 9.04 2.0849 2 1 3 8 43.63 2.96 2.0745 7 2 1 8 43.72 10.33 2.0704 6 3 1 8 43.81 6.21 2.0666 8 1 0 4 44.76 1.02 2.0246 0 2 3 4 44.81 4.40 2.0225 1 4 2 8 45.10 12.64 2.0102 1 2 3 8 45.12 1.60 2.0096 3 1 3 8 45.82 8.41 1.9803 2 4 2 8 45.88 8.15 1.9780 6 2 2 8 46.02 9.65 1.9722 8 1 1 8 46.11 3.73 1.9687 2 2 3 8 46.28 2.34 1.9616 5 4 1 8 46.63 2.77 1.9479 5 3 2 8 46.67 3.50 1.9463 7 0 2 4 47.23 2.21 1.9245 2 5 1 8 47.43 12.59 1.9167 4 1 3 8 47.47 3.61 1.9154 3 4 2 8 47.54 15.23 1.9128 7 1 2 8 48.06 6.24 1.8933 7 3 1 8 48.61 4.52 1.8730 8 2 1 8 48.84 1.07 1.8648 3 5 1 8 49.42 5.94 1.8441 1 3 3 8 49.70 2.35 1.8344 4 4 2 8 49.82 1.27 1.8302 6 4 1 8 49.97 1.64 1.8253 4 2 3 8 50.15 1.74 1.8191 6 3 2 8 50.29 8.38 1.8142 5 1 3 8 50.36 2.08 1.8119 2 3 3 8 51.03 7.95 1.7899 4 5 1 8 51.42 2.57 1.7770 8 0 2 4 51.90 6.30 1.7618 3 3 3 8 52.23 1.89 1.7514 8 1 2 8 52.43 7.50 1.7452 1 5 2 8 52.47 5.61 1.7440 5 4 2 8 52.72 4.16 1.7364 8 3 1 8 53.04 6.99 1.7265 0 6 0 2 53.78 3.31 1.7045 7 4 1 8 54.09 3.46 1.6955 7 3 2 8 54.23 4.70 1.6914 2 6 0 4 54.60 1.77 1.6808 8 2 2 8 55.06 3.70 1.6680 6 5 0 4 55.15 6.31 1.6653 10 1 0 4 55.72 4.48 1.6497 0 0 4 2 55.92 3.64 1.6444 2 4 3 8 55.96 1.38 1.6431 6 2 3 8 56.01 5.89 1.6419 1 0 4 4 56.13 2.49 1.6385 2 6 1 8 56.45 1.84 1.6300 9 0 2 4 56.77 3.05 1.6217 1 1 4 8 57.21 2.03 1.6101 9 1 2 8 57.41 2.58 1.6051 7 1 3 8 57.44 3.09 1.6042 10 2 0 4 57.67 2.72 1.5985 9 3 1 8 57.69 5.21 1.5978 4 6 0 4 58.29 2.19 1.5830 3 0 4 4 58.41 2.68 1.5801 8 3 2 8 59.37 1.32 1.5567 5 5 2 8 59.40 2.81 1.5559 7 4 2 8 59.45 1.21 1.5548 9 2 2 8 60.58 1.55 1.5284 7 5 1 8 60.80 5.67 1.5235 1 6 2 8 61.79 1.23 1.5014 5 4 3 8 61.99 1.47 1.4969 5 6 1 8 62.85 2.02 1.4787 11 1 1 8 62.88 1.71 1.4780 8 5 0 4 63.07 4.89 1.4740 9 3 2 8 63.12 3.67 1.4730 4 2 4 8 63.20 4.23 1.4713 6 6 0 4 63.40 1.04 1.4672 5 1 4 8 63.72 1.40 1.4606 8 2 3 8 64.62 2.10 1.4422 8 5 1 8 64.80 3.39 1.4387 1 7 1 8 64.94 1.59 1.4361 6 6 1 8 65.51 2.35 1.4249 5 2 4 8 65.59 1.16 1.4233 2 7 1 8 65.61 7.89 1.4229 6 0 4 4 65.76 1.54 1.4201 4 5 3 8 65.84 4.20 1.4185 7 5 2 8 66.10 3.85 1.4137 10 4 0 4 66.11 1.17 1.4135 9 1 3 8 66.50 2.99 1.4060 12 0 0 2 67.21 1.97 1.3930 8 3 3 8 68.01 2.26 1.3785 11 1 2 8 68.10 1.06 1.3769 5 5 3 8 68.32 3.71 1.3729 2 4 4 8 68.37 5.59 1.3721 6 2 4 8 68.88 1.16 1.3632 12 1 1 8 69.05 1.07 1.3602 9 5 1 8 69.24 1.60 1.3569 12 2 0 4 69.43 3.41 1.3537 1 6 3 8 70.05 1.75 1.3433 11 2 2 8 71.38 1.21 1.3214 4 4 4 8 71.91 1.99 1.3130 3 7 2 8 72.13 1.30 1.3096 6 7 0 4 73.13 1.35 1.2941 11 4 1 8 73.15 1.74 1.2937 2 1 5 8 73.61 1.17 1.2868 1 5 4 8 74.40 1.66 1.2751 3 1 5 8 74.95 1.17 1.2671 1 8 1 8 75.17 1.12 1.2639 13 1 1 8 75.69 2.95 1.2565 2 8 1 8 77.87 1.29 1.2268 8 5 3 8 78.34 1.08 1.2206 5 1 5 8 79.02 1.46 1.2118 11 5 1 8 80.53 1.10 1.1928 0 6 4 4 80.64 1.49 1.1915 8 7 1 8 82.00 1.55 1.1751 9 5 3 8 82.94 1.06 1.1642 6 2 5 8 83.69 1.05 1.1556 14 2 1 8 83.85 2.76 1.1538 5 7 3 8 84.18 2.52 1.1501 10 2 4 8 85.55 1.15 1.1351 5 8 2 8 85.78 1.12 1.1327 4 4 5 8 87.31 1.61 1.1168 11 1 4 8 87.75 1.24 1.1123 8 1 5 8 88.63 1.06 1.1036 2 5 5 8 89.19 3.68 1.0981 6 6 4 8 89.44 2.75 1.0956 9 7 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.